2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide

C12H19N3OS — CID 112664065

IUPAC2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(C)CCSC
InChIInChI=1S/C12H19N3OS/c1-4-13-11-10(6-5-7-14-11)12(16)15(2)8-9-17-3/h5-7H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyHPZDKDDXDJWOTN-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.95
Rot. Bonds6

About 2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide

2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide (PubChem CID 112664065) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
PubChem CID112664065
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
SMILESCCNc1ncccc1C(=O)N(C)CCSC
InChIInChI=1S/C12H19N3OS/c1-4-13-11-10(6-5-7-14-11)12(16)15(2)8-9-17-3/h5-7H,4,8-9H2,1-3H3,(H,13,14)
InChIKeyHPZDKDDXDJWOTN-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide (CID 112664065) is 2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide is CCNc1ncccc1C(=O)N(C)CCSC.
What is the InChIKey of 2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
The InChIKey is HPZDKDDXDJWOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-13-11-10(6-5-7-14-11)12(16)15(2)8-9-17-3/h5-7H,4,8-9H2,1-3H3,(H,13,14).
What are the key properties of 2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide?
2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-methyl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 112664065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).